
1369773-39-6
| Name | AHU-377 (heMicalciuM salt) |
| CAS | 1369773-39-6 |
| EINECS(EC#) | 935-847-3 |
| Molecular Formula | C48H56CaN2O10 |
| MDL Number | MFCD28137893 |
| Molecular Weight | 861.044 |
| MOL File | 1369773-39-6.mol |
Chemical Properties
| Melting point | >140°C (dec.) |
| density | 1.24g/cm3 at 20℃ |
| vapor pressure | 0.001Pa at 20℃ |
| storage temp. | -20°C |
| solubility | DMSO (Slightly, Heated), Methanol (Slightly) |
| form | powder |
| color | white to beige |
| Optical Rotation | -16.3°(C=0.01g/mL,MEOH, 20°C, 589nm) |
| InChIKey | DDLCKLBRBPYKQS-AGIGYYLVNA-L |
| SMILES | [Ca+2].N([C@@H](C[C@@H](C)C(=O)OCC)Cc3ccc(cc3)c4ccccc4)C(=O)CCC(=O)[O-].N([C@@H](C[C@@H](C)C(=O)OCC)Cc1ccc(cc1)c2ccccc2)C(=O)CCC(=O)[O-] |
| LogP | -0.66-2.9 at 20℃ and pH2-7 |
Safety Data
| Symbol(GHS) | ![]() ![]() GHS06,GHS09 |
| Signal word | Danger |
| Hazard statements | H301-H400 |
| Precautionary statements | P273-P301+P310+P330 |
| RIDADR | UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all |
| WGK Germany | WGK 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Aquatic Acute 1 |

